Compound Detail
CHEMBL4754134
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Basic Information
| ChEMBL ID | CHEMBL4754134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFWSDBXPKOGXRC-DHRITJCHSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
6.38
ALogP
5
HBA
1
HBD
55.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.0 | 6.238 | 100.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 100.0 | nM | 7.0 | Inhibition of beta-lactamase IMP-1 (unknown origin) expressed in Escherichia col... | 32937203 |
| Unchecked | Ki | = | 100.0 | nM | 7.0 | Binding affinity to IMP1 (unknown origin) expressed in Escherichia coli BL21(DE3... | 36030663 |
| Unchecked | Ki | = | 600.0 | nM | 6.22 | Inhibition of beta-lactamase VIM4 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 600.0 | nM | 6.22 | Binding affinity to VIM-4 (unknown origin) expressed in Escherichia coli BL21(DE... | 36030663 |
| Unchecked | Ki | = | 18000.0 | nM | 4.75 | Inhibition of beta-lactamase L1 (unknown origin) expressed in Escherichia coli B... | 32937203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32937203 | 10.1016/j.ejmech.2020.112720 | Unchecked | 9 |
| 36030663 | 10.1016/j.bmc.2022.116964 | Unchecked | 3 |
| 36030663 | 10.1016/j.bmc.2022.116964 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine